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226088-59-1 | Isoxazole, 3-methyl-5-[(3S)-1-methyl-3-pyrrolidinyl]- (9CI)
CAS No: 226088-59-1 Catalog No: AG00BUYD MDL No:
Product Description
Catalog Number:
AG00BUYD
Chemical Name:
Isoxazole, 3-methyl-5-[(3S)-1-methyl-3-pyrrolidinyl]- (9CI)
CAS Number:
226088-59-1
IUPAC Name:
3-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]-1,2-oxazole
InChI:
InChI=1S/C9H14N2O/c1-7-5-9(12-10-7)8-3-4-11(2)6-8/h5,8H,3-4,6H2,1-2H3/t8-/m0/s1
InChI Key:
LUGITUNNKYCYPD-QMMMGPOBSA-N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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